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{
"id": "jvasp-99535",
"created_at": "2022-09-04T14:36:31.046016Z",
"updated_at": "2022-09-04T14:36:31.046039Z",
"structure_string": "K1 Hg3\n1.0\n4.944860 -0.000000 0.000000\n0.000000 4.944860 0.000000\n-0.000000 -0.000000 4.944860\nK Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n-0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.500000 0.500000 -0.000000 Hg\n",
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{
"id": "jvasp-18870",
"created_at": "2022-09-04T14:36:10.632833Z",
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"structure_string": "K2 Hg7\n1.0\n3.544976 -6.140078 0.000000\n3.544976 6.140078 0.000000\n0.000000 0.000000 6.315499\nK Hg\n2 7\ndirect\n0.333334 0.666668 0.168108 K\n0.666668 0.333334 0.831892 K\n0.183016 0.816985 0.671855 Hg\n0.633969 0.816985 0.671855 Hg\n0.183016 0.366032 0.671855 Hg\n0.816985 0.183016 0.328145 Hg\n0.816985 0.633969 0.328145 Hg\n0.366032 0.183016 0.328145 Hg\n0.000000 0.000000 0.000000 Hg\n",
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"spacegroup": 164
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{
"id": "jvasp-79123",
"created_at": "2022-09-04T14:37:11.063201Z",
"updated_at": "2022-09-04T14:37:11.063232Z",
"structure_string": "K3 Hg1\n1.0\n-0.000000 4.506388 4.506388\n4.506388 0.000000 4.506388\n4.506388 4.506388 -0.000000\nK Hg\n3 1\ndirect\n0.000000 0.000000 0.000000 K\n0.499999 0.499999 0.499999 K\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Hg-K",
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"density_atomic": 0.02185466986262766,
"volume": 183.02724429803246,
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{
"id": "jvasp-103262",
"created_at": "2022-09-04T14:38:39.795616Z",
"updated_at": "2022-09-04T14:38:39.795633Z",
"structure_string": "K1 Hg3\n1.0\n4.512017 -0.206912 -3.635374\n-1.160764 4.365058 -3.635374\n0.166760 0.206912 5.791928\nK Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.750001 0.250000 0.500001 Hg\n0.250001 0.750000 0.500002 Hg\n0.500001 0.500000 0.000002 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
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],
"chemical_system": "Hg-K",
"density": 8.888893489698868,
"density_atomic": 0.033411025519042264,
"volume": 119.72095851174164,
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"formula_full": "K1 Hg3",
"formula_reduced": "KHg3",
"formula_anonymous": "AB3",
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"spacegroup": 139
},
{
"id": "jvasp-18716",
"created_at": "2022-09-04T14:36:39.268575Z",
"updated_at": "2022-09-04T14:36:39.268608Z",
"structure_string": "K2 Hg4\n1.0\n4.872646 -0.000000 2.106067\n2.114351 6.007607 1.797956\n0.034785 0.332533 6.609288\nK Hg\n2 4\ndirect\n0.039962 0.710037 0.710038 K\n0.960037 0.289963 0.289964 K\n0.663925 0.293543 0.878607 Hg\n0.336075 0.706457 0.121394 Hg\n0.663925 0.878607 0.293544 Hg\n0.336075 0.121393 0.706457 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"K",
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"density": 7.631489286949307,
"density_atomic": 0.03131512684839759,
"volume": 191.60069282322013,
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"formula_full": "K2 Hg4",
"formula_reduced": "KHg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3365991228070175,
"spacegroup": 74
},
{
"id": "jvasp-107662",
"created_at": "2022-09-04T14:36:58.269974Z",
"updated_at": "2022-09-04T14:36:58.269994Z",
"structure_string": "K1 Hg3\n1.0\n4.801522 -0.000000 2.772160\n1.600507 4.526918 2.772160\n-0.000000 -0.000000 5.544320\nK Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"chemical_system": "Hg-K",
"density": 8.830555985465491,
"density_atomic": 0.033191750100238185,
"volume": 120.51187382166077,
"volume_molar": 18.14348668513501,
"formula_full": "K1 Hg3",
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"spacegroup": 225
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{
"id": "jvasp-2011",
"created_at": "2022-09-04T14:35:43.998138Z",
"updated_at": "2022-09-04T14:35:43.998164Z",
"structure_string": "K1 H1\n1.0\n3.443171 0.000000 1.987915\n1.147724 3.246253 1.987915\n0.000000 0.000000 3.975831\nK H\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500002 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"H"
],
"chemical_system": "H-K",
"density": 1.4986222434177299,
"density_atomic": 0.04500503711665502,
"volume": 44.43947007122587,
"volume_molar": 13.38103720343647,
"formula_full": "K1 H1",
"formula_reduced": "KH",
"formula_anonymous": "AB",
"energy_above_hull": 0.385194,
"spacegroup": 225
},
{
"id": "jvasp-78426",
"created_at": "2022-09-04T14:37:09.644652Z",
"updated_at": "2022-09-04T14:37:09.644672Z",
"structure_string": "K1 Ge1\n1.0\n-3.373657 -3.373657 0.000000\n-3.373657 -0.000000 -3.373657\n0.000000 -3.373657 -3.373657\nK Ge\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500001 0.500001 0.500001 Ge\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"Ge"
],
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"density": 2.4161193541842367,
"density_atomic": 0.02604337250322586,
"volume": 76.79496961279766,
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"formula_full": "K1 Ge1",
"formula_reduced": "KGe",
"formula_anonymous": "AB",
"energy_above_hull": 0.60425365,
"spacegroup": 225
},
{
"id": "jvasp-102946",
"created_at": "2022-09-04T14:36:40.305603Z",
"updated_at": "2022-09-04T14:36:40.305623Z",
"structure_string": "K3 Ge1\n1.0\n5.164507 0.000000 2.981729\n1.721502 4.869144 2.981729\n0.000000 0.000000 5.963458\nK Ge\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.749999 0.750001 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Ge"
],
"chemical_system": "Ge-K",
"density": 2.10316921430107,
"density_atomic": 0.026673520358810526,
"volume": 149.9614578875323,
"volume_molar": 22.577225199338294,
"formula_full": "K3 Ge1",
"formula_reduced": "K3Ge",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-105181",
"created_at": "2022-09-04T14:36:57.419935Z",
"updated_at": "2022-09-04T14:36:57.419944Z",
"structure_string": "K3 Ga1\n1.0\n5.409499 -0.000000 3.123176\n1.803166 5.100125 3.123176\n-0.000000 -0.000000 6.246352\nK Ga\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750001 0.749999 0.750001 K\n0.500001 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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"elements": [
"K",
"Ga"
],
"chemical_system": "Ga-K",
"density": 1.8020546351620208,
"density_atomic": 0.023211097277654025,
"volume": 172.331361682367,
"volume_molar": 25.945092935342117,
"formula_full": "K3 Ga1",
"formula_reduced": "K3Ga",
"formula_anonymous": "AB3",
"energy_above_hull": 0.000975,
"spacegroup": 225
},
{
"id": "jvasp-105182",
"created_at": "2022-09-04T14:36:57.438323Z",
"updated_at": "2022-09-04T14:36:57.438344Z",
"structure_string": "K3 Ga1\n1.0\n5.105092 -0.033583 -4.417577\n-1.088140 4.987890 -4.417577\n0.027229 0.033583 6.751016\nK Ga\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 -0.000000 K\n0.000000 0.000000 0.000000 Ga\n",
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"volume": 173.18153454149967,
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"formula_full": "K3 Ga1",
"formula_reduced": "K3Ga",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-86079",
"created_at": "2022-09-04T14:35:57.614198Z",
"updated_at": "2022-09-04T14:35:57.614214Z",
"structure_string": "K4 Ga6\n1.0\n5.749257 -0.000000 -2.200643\n-0.842340 5.687215 -2.200643\n-0.049207 -0.057032 8.481834\nK Ga\n4 6\ndirect\n0.390426 0.390426 0.780853 K\n0.250000 0.750000 0.500000 K\n0.609574 0.609573 0.219147 K\n0.750000 0.250000 0.500000 K\n-0.000000 0.294802 0.000000 Ga\n0.143250 0.143250 0.286498 Ga\n0.294802 0.000000 0.000000 Ga\n-0.000000 0.705197 0.000000 Ga\n0.856750 0.856750 0.713501 Ga\n0.705198 0.000000 0.000000 Ga\n",
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"elements": [
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"density": 3.459222940410841,
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"volume": 275.88959336646593,
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"formula_full": "K4 Ga6",
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"formula_anonymous": "A2B3",
"energy_above_hull": 4.163336342344337e-17,
"spacegroup": 139
}
]
}